2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

C15H18F3N3O — CID 122166370

IUPAC2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCOc1cccc(CCNCc2cnn(C)c2C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c1-21-14(15(16,17)18)12(10-20-21)9-19-7-6-11-4-3-5-13(8-11)22-2/h3-5,8,10,19H,6-7,9H2,1-2H3
InChIKeyDMVUGQBOUZAZJM-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.78
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine

2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 122166370) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID122166370
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
SMILESCOc1cccc(CCNCc2cnn(C)c2C(F)(F)F)c1
InChIInChI=1S/C15H18F3N3O/c1-21-14(15(16,17)18)12(10-20-21)9-19-7-6-11-4-3-5-13(8-11)22-2/h3-5,8,10,19H,6-7,9H2,1-2H3
InChIKeyDMVUGQBOUZAZJM-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
2-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]ethanamine;hydrochloride
CID 126965303
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 103527049
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine (CID 122166370) is 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is COc1cccc(CCNCc2cnn(C)c2C(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is DMVUGQBOUZAZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-21-14(15(16,17)18)12(10-20-21)9-19-7-6-11-4-3-5-13(8-11)22-2/h3-5,8,10,19H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine?
2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 313.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 122166370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).